{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.707728 0.937215 0.61761 ] [ 0.707728 0.062785 0.38239 ] [ 0.292272 0.937215 0.88239 ] [ 0.292272 0.062785 0.11761 ] [ 0.292272 0.062785 0.38239 ] [ 0.292272 0.937215 0.61761 ] [ 0.707728 0.062785 0.11761 ] [ 0.707728 0.937215 0.88239 ] [ 0 0.152342 0.25 ] [ 0 0.847658 0.75 ] [ 0 0.73617 0.097069 ] [ 0 0.26383 0.902931 ] [ 0.5 0.23617 0.902931 ] [ 0.5 0.76383 0.097069 ] [ 0.207728 0.437215 0.11761 ] [ 0.207728 0.562785 0.88239 ] [ 0.792272 0.437215 0.38239 ] [ 0.792272 0.562785 0.61761 ] [ 0.792272 0.562785 0.88239 ] [ 0.792272 0.437215 0.11761 ] [ 0.207728 0.562785 0.61761 ] [ 0.207728 0.437215 0.38239 ] [ 0.5 0.652342 0.75 ] [ 0.5 0.347658 0.25 ] [ 0.5 0.23617 0.597069 ] [ 0.5 0.76383 0.402931 ] [ 0 0.73617 0.402931 ] [ 0 0.26383 0.597069 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.34109118163 "source-unit" "angstrom" } "b" { "source-value" 7.50329771502 "source-unit" "angstrom" } "c" { "source-value" 10.3664926703 "source-unit" "angstrom" } }